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CHEBI:124089 - 4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

ChEBI IDCHEBI:124089
ChEBI Name4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
Stars
DownloadsMolfile
FormulaC29H50N4O7S
Net Charge0
Average Mass598.807
Monoisotopic Mass598.34002
SMILESC[C@@H]1CCCCO[C@H](CN(C)S(C)(=O)=O)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O1
InChIInChI=1S/C29H50N4O7S/c1-21-18-33(22(2)20-34)29(36)25-17-24(30-28(35)12-10-15-31(4)5)13-14-26(25)40-23(3)11-8-9-16-39-27(21)19-32(6)41(7,37)38/h13-14,17,21-23,27,34H,8-12,15-16,18-20H2,1-7H3,(H,30,35)/t21-,22-,23+,27+/m0/s1
InChIKeyXJLXIOLTLBOFKC-OJXRJRMYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:124089) is a azamacrocycle (CHEBI:52898)
4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:124089) is a lactam (CHEBI:24995)
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